Geometry & MOs

Info

ID:	234819
PubChem CID:	92303550
Reduced:	ClON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	428.193378
ΔH_f, kcal/mol:	-18.79
Dipole, Da:	5.53
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethyl-N-[4-[(2R)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]hexanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C[C@H](C1=CC=C(C=C1)Cl)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations